4-chloro-N-propan-2-ylthiophen-2-amine

C7H10ClNS — CID 19031749

IUPAC4-chloro-N-propan-2-ylthiophen-2-amine
SMILESCC(C)Nc1cc(Cl)cs1
InChIInChI=1S/C7H10ClNS/c1-5(2)9-7-3-6(8)4-10-7/h3-5,9H,1-2H3
InChIKeyMIIXMGXGVLFECC-UHFFFAOYSA-N
MW175.68 g/mol
LogP3.22
Rot. Bonds2

About 4-chloro-N-propan-2-ylthiophen-2-amine

4-chloro-N-propan-2-ylthiophen-2-amine (PubChem CID 19031749) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 4-chloro-N-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound Name4-chloro-N-propan-2-ylthiophen-2-amine
PubChem CID19031749
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name4-chloro-N-propan-2-ylthiophen-2-amine
SMILESCC(C)Nc1cc(Cl)cs1
InChIInChI=1S/C7H10ClNS/c1-5(2)9-7-3-6(8)4-10-7/h3-5,9H,1-2H3
InChIKeyMIIXMGXGVLFECC-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-ylthiophen-2-amine?
The IUPAC name of 4-chloro-N-propan-2-ylthiophen-2-amine (CID 19031749) is 4-chloro-N-propan-2-ylthiophen-2-amine.
What is the SMILES notation for 4-chloro-N-propan-2-ylthiophen-2-amine?
The canonical SMILES for 4-chloro-N-propan-2-ylthiophen-2-amine is CC(C)Nc1cc(Cl)cs1.
What is the InChIKey of 4-chloro-N-propan-2-ylthiophen-2-amine?
The InChIKey is MIIXMGXGVLFECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(2)9-7-3-6(8)4-10-7/h3-5,9H,1-2H3.
What are the key properties of 4-chloro-N-propan-2-ylthiophen-2-amine?
4-chloro-N-propan-2-ylthiophen-2-amine has a molecular weight of 175.68 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 19031749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).